(3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone

C21H26N2O3 — CID 991756

IUPAC(3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-15-5-7-18(16(2)13-15)22-9-11-23(12-10-22)21(24)17-6-8-19(25-3)20(14-17)26-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeySXXIAENMNTXNEU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.28
Rot. Bonds4

About (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 991756) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID991756
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-15-5-7-18(16(2)13-15)22-9-11-23(12-10-22)21(24)17-6-8-19(25-3)20(14-17)26-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeySXXIAENMNTXNEU-UHFFFAOYSA-N
XLogP3.28
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Encainide
CID 48041
Vesnarinone
CID 5663
Encainide Hydrochloride
CID 48040
1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
4-Dimethylamino-3',4'-dimethoxychalcone
CID 6156423
3-Methoxy-O-demethylencainide
CID 54737
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
(4-(2-Methoxyphenyl)-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
CID 28757
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8001903
3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (CID 991756) is (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is SXXIAENMNTXNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-5-7-18(16(2)13-15)22-9-11-23(12-10-22)21(24)17-6-8-19(25-3)20(14-17)26-4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 991756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).